==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-OCT-09 3KAW . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN PA2107; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR F.FOROUHAR,H.NEELY,J.SEETHARAMAN,J.JANJUA,R.XIAO,M.MAGLAQUI, . 800 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35766.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 649 81.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 575 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8 1 7 1 0 15 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 32 A A > 0 0 90 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 128.4 49.3 18.6 -7.6 2 33 A P H > + 0 0 57 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.797 360.0 56.1 -65.2 -29.8 47.4 16.0 -5.5 3 34 A E H > S+ 0 0 53 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.928 106.5 48.5 -69.4 -43.8 46.4 18.5 -2.9 4 35 A E H > S+ 0 0 72 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.892 111.8 50.7 -61.6 -39.2 44.7 20.7 -5.5 5 36 A R H X S+ 0 0 148 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.881 112.9 46.1 -64.9 -39.9 42.9 17.7 -6.8 6 37 A C H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.884 113.1 47.9 -71.2 -41.4 41.8 16.7 -3.3 7 38 A R H X S+ 0 0 47 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.928 111.3 52.2 -64.5 -44.5 40.6 20.2 -2.4 8 39 A L H X S+ 0 0 95 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.901 111.7 45.8 -58.0 -44.3 38.7 20.4 -5.7 9 40 A A H X S+ 0 0 14 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.801 110.8 53.7 -70.5 -28.2 37.0 17.1 -4.9 10 41 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.909 107.1 51.7 -71.1 -39.5 36.3 18.3 -1.4 11 42 A Q H X S+ 0 0 52 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.917 110.9 47.1 -61.8 -44.1 34.7 21.4 -2.8 12 43 A A H X S+ 0 0 28 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.875 109.8 53.6 -65.8 -38.3 32.4 19.4 -5.1 13 44 A C H X S+ 0 0 0 -4,-1.9 4,-2.5 74,-0.2 5,-0.2 0.895 107.9 50.6 -64.3 -38.9 31.5 17.1 -2.2 14 45 A I H X S+ 0 0 8 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.944 111.3 48.8 -63.5 -46.6 30.4 20.1 -0.2 15 46 A R H X S+ 0 0 135 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.943 112.4 48.0 -56.8 -51.1 28.3 21.3 -3.1 16 47 A A H X S+ 0 0 1 -4,-2.9 4,-1.8 1,-0.2 68,-0.2 0.920 111.7 48.3 -57.5 -49.9 26.7 17.9 -3.5 17 48 A C H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.901 112.3 49.3 -58.4 -45.7 25.9 17.3 0.1 18 49 A E H X S+ 0 0 71 -4,-2.2 4,-1.7 1,-0.2 5,-0.3 0.904 109.8 49.7 -62.4 -45.4 24.3 20.8 0.5 19 50 A R H X S+ 0 0 88 -4,-2.3 4,-2.4 -5,-0.2 5,-0.5 0.849 113.3 51.2 -63.4 -31.6 22.1 20.4 -2.6 20 51 A Y H X S+ 0 0 0 -4,-1.8 4,-2.7 -5,-0.2 -2,-0.2 0.994 112.2 40.0 -68.4 -63.6 21.0 17.1 -1.2 21 52 A L H < S+ 0 0 15 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.733 123.5 43.7 -61.7 -19.7 20.0 18.1 2.4 22 53 A A H < S+ 0 0 13 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.845 127.6 22.8 -93.0 -37.8 18.5 21.3 1.0 23 54 A L H < S+ 0 0 100 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.750 94.9 95.2-102.9 -27.7 16.6 20.0 -2.1 24 55 A C < - 0 0 15 -4,-2.7 -4,-0.0 -5,-0.5 0, 0.0 -0.416 48.4-170.8 -65.9 141.6 16.0 16.3 -1.5 25 56 A T S S+ 0 0 132 1,-0.1 -1,-0.1 -2,-0.1 -4,-0.0 0.333 77.8 58.3-115.6 4.6 12.5 15.7 -0.0 26 57 A E S S+ 0 0 116 2,-0.1 -1,-0.1 0, 0.0 -2,-0.1 0.418 74.9 123.8-111.8 -4.6 12.9 12.0 0.8 27 58 A S - 0 0 14 -7,-0.2 2,-0.2 1,-0.1 47,-0.1 -0.225 52.1-139.2 -60.1 146.8 15.9 12.3 3.1 28 59 A S > - 0 0 52 1,-0.1 4,-1.7 0, 0.0 5,-0.2 -0.471 29.6 -98.6 -97.4 175.7 15.6 10.9 6.7 29 60 A R H > S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.937 123.9 48.9 -60.6 -48.0 16.9 12.5 9.8 30 61 A E H > S+ 0 0 117 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.796 109.2 52.0 -64.1 -30.1 20.0 10.3 9.8 31 62 A Q H > S+ 0 0 41 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.840 108.9 50.7 -74.0 -33.8 20.8 11.0 6.1 32 63 A R H X S+ 0 0 37 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.856 110.5 49.4 -70.7 -37.5 20.6 14.7 6.8 33 64 A Q H X S+ 0 0 28 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.959 113.4 46.9 -66.9 -48.6 23.0 14.3 9.7 34 65 A H H X S+ 0 0 16 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.945 116.1 43.8 -56.9 -51.2 25.4 12.3 7.5 35 66 A A H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.884 116.6 46.2 -64.1 -39.5 25.2 14.8 4.6 36 67 A G H X S+ 0 0 12 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.923 114.6 46.0 -70.0 -44.1 25.5 17.9 6.8 37 68 A D H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.2 -2,-0.2 0.910 111.2 52.8 -65.0 -41.0 28.4 16.5 8.9 38 69 A C H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 5,-0.2 0.904 107.6 53.3 -61.3 -39.6 30.2 15.3 5.7 39 70 A A H X S+ 0 0 2 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.948 111.6 44.0 -60.9 -48.0 29.8 18.9 4.3 40 71 A D H X S+ 0 0 17 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.911 112.8 52.2 -63.6 -41.3 31.4 20.4 7.4 41 72 A L H X S+ 0 0 5 -4,-2.8 4,-2.2 1,-0.2 22,-0.2 0.919 111.8 45.5 -60.5 -45.5 34.2 17.8 7.5 42 73 A C H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.781 109.6 57.4 -69.5 -26.2 35.1 18.4 3.9 43 74 A R H X S+ 0 0 88 -4,-1.6 4,-2.4 -5,-0.2 -2,-0.2 0.976 107.2 45.8 -65.8 -55.8 34.9 22.1 4.5 44 75 A L H X S+ 0 0 8 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.914 114.0 49.9 -53.8 -45.7 37.5 21.9 7.3 45 76 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.920 108.1 52.8 -62.0 -42.5 39.7 19.7 5.0 46 77 A A H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.893 107.5 52.7 -59.5 -39.4 39.3 22.2 2.1 47 78 A L H X S+ 0 0 52 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.902 111.1 45.2 -63.7 -42.2 40.5 25.0 4.4 48 79 A L H <>S+ 0 0 1 -4,-2.0 5,-3.1 1,-0.2 8,-0.3 0.847 113.6 50.3 -71.9 -31.9 43.6 23.1 5.4 49 80 A L H ><5S+ 0 0 0 -4,-2.4 3,-1.3 3,-0.2 -2,-0.2 0.889 106.5 55.9 -71.1 -37.4 44.3 22.1 1.8 50 81 A E H 3<5S+ 0 0 88 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.918 113.0 39.8 -58.0 -48.5 44.0 25.7 0.6 51 82 A R T 3<5S- 0 0 108 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.274 111.9-123.0 -84.5 9.6 46.6 27.0 3.0 52 83 A R T < 5 - 0 0 105 -3,-1.3 -3,-0.2 1,-0.1 -2,-0.1 0.920 43.6-172.2 44.5 53.8 48.7 23.8 2.3 53 84 A S > < - 0 0 7 -5,-3.1 3,-1.3 1,-0.1 -1,-0.1 -0.431 33.5-133.1 -76.0 146.7 48.7 22.9 6.0 54 85 A P T 3 S+ 0 0 80 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.636 109.1 58.6 -74.2 -10.9 50.9 20.0 7.3 55 86 A W T 3> S+ 0 0 24 1,-0.2 4,-1.6 2,-0.1 5,-0.2 0.386 76.4 96.6 -96.6 2.6 47.8 19.0 9.2 56 87 A A H <> S+ 0 0 0 -3,-1.3 4,-2.9 -8,-0.3 5,-0.2 0.932 78.8 55.2 -58.7 -47.5 45.6 18.6 6.0 57 88 A P H > S+ 0 0 50 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.899 105.6 51.0 -54.6 -42.6 46.2 14.8 5.7 58 89 A A H > S+ 0 0 21 -4,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.907 114.1 45.6 -62.0 -38.6 44.9 14.2 9.3 59 90 A A H X S+ 0 0 4 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.863 110.9 52.7 -71.7 -35.4 41.8 16.2 8.4 60 91 A C H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.889 105.7 54.4 -67.4 -37.3 41.4 14.5 5.1 61 92 A E H X S+ 0 0 118 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.874 110.6 46.4 -63.8 -36.2 41.5 11.0 6.7 62 93 A L H X S+ 0 0 18 -4,-1.3 4,-1.5 -5,-0.2 -2,-0.2 0.931 115.5 44.1 -72.7 -44.8 38.7 12.1 9.1 63 94 A A H X S+ 0 0 1 -4,-2.4 4,-2.2 -22,-0.2 -2,-0.2 0.906 112.4 54.4 -65.8 -39.8 36.6 13.6 6.3 64 95 A A H X S+ 0 0 5 -4,-3.1 4,-2.2 2,-0.2 5,-0.2 0.927 105.2 50.8 -59.8 -49.4 37.2 10.6 4.0 65 96 A R H X S+ 0 0 119 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.904 119.3 37.2 -59.8 -40.1 36.1 8.0 6.4 66 97 A Y H X S+ 0 0 28 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.708 109.2 63.6 -83.7 -20.4 32.8 9.8 7.1 67 98 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.937 105.5 45.2 -68.0 -42.2 32.4 10.9 3.5 68 99 A L H X S+ 0 0 63 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.802 109.9 55.6 -70.5 -27.2 32.2 7.3 2.4 69 100 A A H X S+ 0 0 21 -4,-0.8 4,-1.2 -5,-0.2 -1,-0.2 0.877 106.4 51.0 -70.3 -35.9 29.8 6.6 5.3 70 101 A C H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 3,-0.4 0.915 109.8 50.2 -65.5 -40.7 27.6 9.5 3.9 71 102 A A H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.824 106.4 55.9 -66.4 -31.5 27.7 7.8 0.4 72 103 A E H < S+ 0 0 121 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.787 118.4 31.6 -72.4 -27.6 26.7 4.5 1.9 73 104 A R H < S+ 0 0 159 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.648 122.5 44.9-103.3 -19.7 23.5 5.9 3.5 74 105 A C H < S+ 0 0 0 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.1 0.689 77.8 116.8-100.2 -21.7 22.6 8.6 1.1 75 106 A D < + 0 0 75 -4,-1.3 2,-0.3 -5,-0.3 7,-0.2 -0.106 38.3 146.6 -47.0 141.9 23.0 6.9 -2.3 76 107 A G - 0 0 21 2,-0.2 9,-0.1 3,-0.1 -2,-0.1 -0.940 60.9 -94.5-163.8-176.7 19.8 6.6 -4.3 77 108 A D S S+ 0 0 150 -2,-0.3 -2,-0.1 4,-0.1 -1,-0.0 0.639 93.0 94.8 -88.2 -12.1 18.2 6.7 -7.8 78 109 A E S >> S- 0 0 54 1,-0.1 4,-2.6 4,-0.0 3,-1.0 -0.601 86.4-119.3 -79.3 139.1 17.4 10.4 -7.6 79 110 A P H 3> S+ 0 0 91 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.833 113.4 47.8 -44.5 -45.5 20.0 12.7 -9.2 80 111 A L H 3> S+ 0 0 37 2,-0.2 4,-1.4 1,-0.2 -60,-0.1 0.835 112.8 49.2 -69.3 -30.3 20.7 14.5 -6.0 81 112 A E H <> S+ 0 0 16 -3,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.909 115.0 43.8 -73.8 -42.2 21.1 11.2 -4.0 82 113 A R H X S+ 0 0 170 -4,-2.6 4,-2.5 -7,-0.2 -2,-0.2 0.865 113.0 51.1 -71.1 -36.8 23.4 9.7 -6.6 83 114 A E H X S+ 0 0 93 -4,-2.4 4,-2.3 -5,-0.3 5,-0.2 0.842 106.9 55.5 -69.8 -32.1 25.5 12.9 -7.0 84 115 A C H X S+ 0 0 0 -4,-1.4 4,-1.7 -68,-0.2 -2,-0.2 0.938 113.4 39.1 -65.0 -46.9 25.9 13.1 -3.2 85 116 A A H X S+ 0 0 1 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.896 116.3 51.0 -70.9 -41.0 27.4 9.6 -3.0 86 117 A G H X S+ 0 0 33 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.902 111.9 47.2 -63.3 -40.5 29.4 9.9 -6.2 87 118 A A H X S+ 0 0 16 -4,-2.3 4,-1.7 2,-0.2 -74,-0.2 0.864 112.3 51.3 -67.4 -38.0 30.9 13.2 -5.0 88 119 A C H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 3,-0.3 0.964 112.6 43.4 -63.7 -54.3 31.7 11.7 -1.6 89 120 A R H X S+ 0 0 108 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.828 111.8 55.8 -62.6 -31.5 33.4 8.6 -3.0 90 121 A R H X S+ 0 0 161 -4,-1.9 4,-1.2 -5,-0.3 -1,-0.2 0.854 108.2 47.9 -69.1 -33.7 35.3 10.9 -5.5 91 122 A F H X S+ 0 0 0 -4,-1.7 4,-0.8 -3,-0.3 -2,-0.2 0.905 110.9 52.4 -70.3 -42.7 36.6 13.0 -2.6 92 123 A V H >X S+ 0 0 31 -4,-2.3 3,-1.7 1,-0.2 4,-1.1 0.961 108.4 47.4 -57.3 -56.5 37.6 9.9 -0.8 93 124 A E H 3< S+ 0 0 113 -4,-2.4 3,-0.3 1,-0.3 -1,-0.2 0.819 108.8 56.2 -57.1 -31.7 39.6 8.4 -3.7 94 125 A A H 3< S+ 0 0 11 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.702 102.4 58.1 -74.1 -16.6 41.3 11.8 -4.2 95 126 A C H XX S+ 0 0 0 -3,-1.7 3,-2.7 -4,-0.8 4,-2.4 0.759 82.5 85.0 -80.7 -29.5 42.4 11.6 -0.5 96 127 A R T 3< S+ 0 0 201 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.1 0.875 87.5 50.7 -39.5 -56.3 44.3 8.3 -1.0 97 128 A P T 34 S+ 0 0 81 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.605 116.9 42.6 -62.1 -11.4 47.5 10.0 -2.2 98 129 A L T <4 0 0 37 -3,-2.7 -2,-0.2 -96,-0.1 -3,-0.1 0.745 360.0 360.0-103.5 -33.7 47.4 12.3 0.9 99 130 A L < 0 0 99 -4,-2.4 -41,-0.1 -3,-0.1 -4,-0.0 -0.499 360.0 360.0 -68.5 360.0 46.5 9.9 3.6 100 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 101 31 B Q 0 0 158 0, 0.0 5,-0.0 0, 0.0 221,-0.0 0.000 360.0 360.0 360.0 -18.1 25.8 22.9 31.8 102 32 B A > - 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